N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide

C23H18FN3O3 — CID 14208254

IUPACN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1
InChIInChI=1S/C23H18FN3O3/c1-30-15-12-10-14(11-13-15)22(28)27-21-23(29)25-19-9-5-3-7-17(19)20(26-21)16-6-2-4-8-18(16)24/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyQYWNMRNYQJYZOF-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.38
Rot. Bonds4

About N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide

N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide (PubChem CID 14208254) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide
PubChem CID14208254
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1
InChIInChI=1S/C23H18FN3O3/c1-30-15-12-10-14(11-13-15)22(28)27-21-23(29)25-19-9-5-3-7-17(19)20(26-21)16-6-2-4-8-18(16)24/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKeyQYWNMRNYQJYZOF-UHFFFAOYSA-N
XLogP3.38
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ND7001
CID 11418136
2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279109
5-fluoro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279328
N-{2-[3-(2,6-Diisopropyl-phenyl)-ureido]-1-phenyl-ethyl}-4-methoxy-benzamide
CID 10322632
N-{1-Cyclohexyl-2-[3-(2,6-diisopropyl-phenyl)-ureido]-ethyl}-4-methoxy-benzamide
CID 10322876
(S)-N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(3-methoxyphenyl)-urea
CID 10341724
1-[1-(2-Dimethylamino-ethyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-(3-methoxy-phenyl)-urea
CID 10344702
1-(3-Methoxy-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 10409534
(R)-N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(3-methoxyphenyl)-urea
CID 10431936
1,3-Dihydro-5-(2-fluorophenyl)-3-(RS)-(2-benzofurancarbonylamino)-2H-1,4-benzodiazepin-2-one
CID 14208210
2-[3-(4-fluorophenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]-N-(2-methoxyphenyl)acetamide
CID 16012414
N1-(4-(4-methoxybenzoyl)phenyl)-N2-(4-methoxyphenethyl)oxalamide
CID 110876908

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide (CID 14208254) is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1.
What is the InChIKey of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide?
The InChIKey is QYWNMRNYQJYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-30-15-12-10-14(11-13-15)22(28)27-21-23(29)25-19-9-5-3-7-17(19)20(26-21)16-6-2-4-8-18(16)24/h2-13,21H,1H3,(H,25,29)(H,27,28).
What are the key properties of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide?
N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide has a molecular weight of 403.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 14208254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).